CID 14178053

82832-28-8

Structural Information

Molecular Formula
C22H33F
SMILES
CCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H33F/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23)16-14-21/h13-20H,2-12H2,1H3
InChIKey
MAWKTEGHHGSVMO-UHFFFAOYSA-N
Compound name
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

316.25662 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.26390 181.4
[M+Na]+ 339.24584 182.4
[M-H]- 315.24934 187.1
[M+NH4]+ 334.29044 195.1
[M+K]+ 355.21978 176.7
[M+H-H2O]+ 299.25388 171.1
[M+HCOO]- 361.25482 194.5
[M+CH3COO]- 375.27047 210.0
[M+Na-2H]- 337.23129 178.4
[M]+ 316.25607 171.8
[M]- 316.25717 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe